SCHEMBL7446950

SCHEMBL7446950

CCOC(=O)C(CNC(=O)c1ccccc1)CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
F2R P25116 3/20 0.45
ALDH1A1 P00352 1/20 0.43
CHRM1 P11229 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
USP30 Q70CQ3 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
ACKR3 P25106 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7440093 0.92 KDM4E (0.56) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7498836 0.91 ITGB3 (0.54) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7501689 0.90 ITGB3 (0.52) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7504289 0.90 ITGB3 (0.52) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7445802 0.87 ITGB3 (0.54) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7451610 0.87 ITGB3 (0.48) ITGB3ITGA2BF2RALDH1A1HPGD
SCHEMBL7506218 0.87 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1HPGD
SCHEMBL7503244 0.87 ITGB3 (0.50) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7446958 0.87 KDM4E (0.52) KDM4EPKMITGB3ITGA2BF2R
SCHEMBL7445639 0.86 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed